1-amino-3-(2-cyclobutylethyl)-2-(3-methoxypropyl)guanidine

C11H24N4O — CID 104888654

IUPAC1-amino-3-(2-cyclobutylethyl)-2-(3-methoxypropyl)guanidine
SMILESCOCCC/N=C(\NN)NCCC1CCC1
InChIInChI=1S/C11H24N4O/c1-16-9-3-7-13-11(15-12)14-8-6-10-4-2-5-10/h10H,2-9,12H2,1H3,(H2,13,14,15)
InChIKeyMQCJSBROLSOZQL-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.62
Rot. Bonds7

About 1-amino-3-(2-cyclobutylethyl)-2-(3-methoxypropyl)guanidine

1-amino-3-(2-cyclobutylethyl)-2-(3-methoxypropyl)guanidine (PubChem CID 104888654) has the molecular formula C11H24N4O and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-amino-3-(2-cyclobutylethyl)-2-(3-methoxypropyl)guanidine.

Molecular Properties

Compound Name1-amino-3-(2-cyclobutylethyl)-2-(3-methoxypropyl)guanidine
PubChem CID104888654
Molecular FormulaC11H24N4O
Molecular Weight228.34 g/mol
Exact Mass228.20
IUPAC Name1-amino-3-(2-cyclobutylethyl)-2-(3-methoxypropyl)guanidine
SMILESCOCCC/N=C(\NN)NCCC1CCC1
InChIInChI=1S/C11H24N4O/c1-16-9-3-7-13-11(15-12)14-8-6-10-4-2-5-10/h10H,2-9,12H2,1H3,(H2,13,14,15)
InChIKeyMQCJSBROLSOZQL-UHFFFAOYSA-N
XLogP0.62
TPSA71.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-2-(3-cyclopentylpropyl)-3-(2-methoxyethyl)guanidine
CID 106013168
1-ethyl-2-(3-methoxypropyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]guanidine
CID 110974125
2-[[N-amino-N'-(3-methoxypropyl)carbamimidoyl]amino]ethyl carbamate
CID 104888085
1-amino-3-(1-cyclopropylpropan-2-yl)-2-(3-methoxypropyl)guanidine
CID 104886210
1-amino-3-(2-methoxyethyl)-2-(4-methylpentyl)guanidine
CID 104885989
2-(3-cyclopentylpropyl)-1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 111946828
1-amino-2-(3-methoxypropyl)-3-(1-methylpiperidin-4-yl)guanidine
CID 104883732
2-cyclopentyl-N-[2-[[N-ethyl-N'-(3-methoxypropyl)carbamimidoyl]amino]ethyl]acetamide
CID 110975345
2-(3-cyclopentylpropyl)-1-ethyl-3-[4-(2-methoxyethoxy)butyl]guanidine
CID 111946727
1-amino-2-(3-methoxypropyl)-3-(2-phenoxyethyl)guanidine
CID 116513779
2-(4-cyclopentylbutyl)-1-ethyl-3-[2-(2-methoxyethoxy)ethyl]guanidine;hydroiodide
CID 111609003
1-amino-3-(2-methoxyethyl)-2-(4-methylsulfanylbutyl)guanidine
CID 104888522

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-cyclobutylethyl)-2-(3-methoxypropyl)guanidine?
The IUPAC name of 1-amino-3-(2-cyclobutylethyl)-2-(3-methoxypropyl)guanidine (CID 104888654) is 1-amino-3-(2-cyclobutylethyl)-2-(3-methoxypropyl)guanidine.
What is the SMILES notation for 1-amino-3-(2-cyclobutylethyl)-2-(3-methoxypropyl)guanidine?
The canonical SMILES for 1-amino-3-(2-cyclobutylethyl)-2-(3-methoxypropyl)guanidine is COCCC/N=C(\NN)NCCC1CCC1.
What is the InChIKey of 1-amino-3-(2-cyclobutylethyl)-2-(3-methoxypropyl)guanidine?
The InChIKey is MQCJSBROLSOZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O/c1-16-9-3-7-13-11(15-12)14-8-6-10-4-2-5-10/h10H,2-9,12H2,1H3,(H2,13,14,15).
What are the key properties of 1-amino-3-(2-cyclobutylethyl)-2-(3-methoxypropyl)guanidine?
1-amino-3-(2-cyclobutylethyl)-2-(3-methoxypropyl)guanidine has a molecular weight of 228.34 g/mol, XLogP of 0.62, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-cyclobutylethyl)-2-(3-methoxypropyl)guanidine is sourced from PubChem (CID 104888654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).